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EC number: 269-044-8 | CAS number: 68186-64-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- according to guideline
- Guideline:
- other: ISO 304:1985: Surface active agents -- Determination of surface tension by drawing up liquid films
- Deviations:
- no
- Principles of method if other than guideline:
- The surface tension of a solution of surfactant generally decreases with increasing concentration until the CMC is achieved. At higher concentration, the surface tension remains essentially unchanged. In a graph of the surface tension as a function of concentration, points form normally two straight lines with different slopes. The CMC is given by the intersection of the two straight lines.
- GLP compliance:
- no
- Type of method:
- other: critical micelle concentration (CMC)
- Key result
- Water solubility:
- 0.061 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 15 min
- Temp.:
- 20 °C
- pH:
- 6.73
- Remarks on result:
- other: Critical micelle concentration
- Conclusions:
- The critical micelle concentration was determined to be 1.045 ± 0.0036 g/L at 20 °C.
- Executive summary:
A study was conducted to determine critical micelle concentration (CMC) of the test item in water. The substance is a surfactant and thus the determination of the water solubility was technically not feasible. Upon reaching CMC, any further addition of test item will just increase the number of micelles. Below the CMC concentration the test item only individual surfactant molecules are present. Using the plate method to determine the surface tension, three individual experiments were performed to determine the surface tension as a function of the test item concentration. The functions of the two curves above and below the CMC were determined and the CMC was determined by the intersection of the two straight lines. The CMC was determined to be 1.045 ± 0.0036 g/L at 20 °C in water.
- Endpoint:
- water solubility
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
In accordance with REACH Annex XI, section 2 it was technically not feasible to perform the standard test for water solubility according to OECD 105 as the substance is a surfactant. In accordance with the ECHA guidance on Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a: Endpoint specific guidance pg 79 a working approach for surfactants might be the comparison of measured solubilities in octanol and water. However, it would then be prudent to take the critical micelle concentration in water (CMC) as a solubility limit, in order to avoid the artefact of unrealistically low Kow values. Thus, in order to determine the logPow the critical micelle concentration in water conducted alternatively.
Referenceopen allclose all
Experiment 1
Concentration (g/L) |
0.00662 |
0.00836 |
0.02211 |
0.1429 |
0.5546 |
0.96604 |
3.6126 |
Surface tension (mN.m) |
66.6 |
58.8 |
59.0 |
39.9 |
35.5 |
34.7 |
30.1 |
Experiment 2
Concentration (g/L) |
0.00071 |
0.00273 |
0.00671 |
0.00978 |
0.04954 |
0.10918 |
1.0396 |
1.7595 |
3.6374 |
Surface tension (mN.m) |
70.9 |
69.9 |
62.2 |
53.8 |
42.8 |
41.5 |
33.4 |
32.9 |
31.1 |
Experiment 3
Concent ration (g/L) |
0.00097 |
0.00251 |
0.00918 |
0.02346 |
0.04593 |
0.10972 |
1.01420 |
1.87119 |
3.50150 |
Surface tension (mN.m) |
71.0 |
69.3 |
60.4 |
48.7 |
46.4 |
41.7 |
33.1 |
32.8 |
29.9 |
Curve |
Straight line 1 |
Straight line 2 |
CMC (g/L) |
Average |
Standard deviation |
1 |
y = -7.771 ln(x) + 25.846 |
y = -2.904 ln(x) + 34.006 |
0.187 |
0.183 |
0.0036 |
2 |
y = -6.754 ln(x) + 25.329 |
y =- 1.876 ln(x) + 33.652 |
0.182 |
||
3 |
y = -6.822ln(x) + 25.938 |
y = - 2.59ln(x) + 33.569 |
0.180 |
Description of key information
The critical micelle concentration was determined to be 1.045 ± 0.0036 g/L at 20 °C in water.
Key value for chemical safety assessment
- Water solubility:
- 1.045 g/L
- at the temperature of:
- 20 °C
Additional information
In accordance with REACH Annex XI, section 2 it was technically not feasible to perform the standard test for water solubility according to OECD 105 as the substance is a surfactant. In accordance with the ECHA guidance on Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a: Endpoint specific guidance pg 79 a working approach for surfactants might be the comparison of measured solubilities in octanol and water. However, it would then be prudent to take the critical micelle concentration in water (CMC) as a solubility limit, in order to avoid the artefact of unrealistically low Kow values. Thus, in order to determine the logPow the critical micelle concentration in water conducted alternatively.
A study was conducted to determine critical micelle concentration (CMC) of the test item in water. The substance is a surfactant and thus the determination of the water solubility was technically not feasible. Upon reaching CMC, any further addition of test item will just increase the number of micelles. Below the CMC concentration only individual surfactant molecules are present. Using the plate method to determine the surface tension, three individual experiments were performed to determine the surface tension as a function of the test item concentration. The functions of the two curves above and below the CMC were determined and the CMC was determined by the intersection of the two straight lines. The CMC was determined to be 1.045 ± 0.0036 g/L at 20 °C in water.
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